SCHEMBL3477651

SCHEMBL3477651

CCOC(=O)c1cc(-c2ccc(Br)o2)cc(CBr)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 5/20 0.48
POLB P06746 5/20 0.48
PKM P14618 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
TARBP2 Q15633 2/20 0.39
GPR55 Q9Y2T6 1/20 0.39
MAPT P10636 6/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
HPGD P15428 4/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSP90AA1 P07900 1/20 0.38
TP53 P04637 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX15 P16050 2/20 0.37
MEN1 O00255 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13132170 0.87 CYP1A2 (0.40) ALDH1A1KDM4EPOLBPKMSMN1; SMN2
SCHEMBL2108554 0.81 L3MBTL1 (0.51) ALDH1A1KDM4EPOLBPKMSMN1; SMN2
SCHEMBL3477764 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EPOLBPKMSMN1; SMN2
SCHEMBL3123162 0.78 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2CYP1A2NPSR1
SCHEMBL13132165 0.77 KDM4E (0.41) ALDH1A1KDM4EPOLBPKMSMN1; SMN2
SCHEMBL3016916 0.77 CYP1A2 (0.36) ALDH1A1KDM4EPOLBSMN1; SMN2CYP1A2
SCHEMBL22854579 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBPKMSMN1; SMN2
SCHEMBL3019716 0.75 MAPT (0.39) ALDH1A1KDM4EPOLBPKMSMN1; SMN2
SCHEMBL862383 0.75 CYP1A2 (0.49) ALDH1A1KDM4EPOLBPKMSMN1; SMN2
SCHEMBL3008215 0.74 ERN1 (0.48) ALDH1A1KDM4EPOLBPKMSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658282-B1 NOVEL CHELATING AGENTS AND CHELATES AND THEIR USE WALLAC OY (FI) 2010-10-27 EP disclosed
EP-1658282-A1 NOVEL CHELATING AGENTS AND CHELATES AND THEIR USE WALLAC OY (FI) 2006-05-24 EP disclosed
US-20050084451-A1 Novel chelating agents and chelates and their use WALLAC OY 2005-04-21 US disclosed
WO-2005021538-A1 NOVEL CHELATING AGENTS AND CHELATES AND THEIR USE WALLAC OY (FI) 2005-03-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050084451-A1 Novel chelating agents and chelates and their use DNPEP, CNBP, CLTA ALDH1A1 4690/4885KDM4E 2934/4885POLB 360/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.